SCHEMBL2386676

SCHEMBL2386676

COC(C(=O)O)c1ccc(N2CCCS2(O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.34
CCNA2 P20248 1/20 0.34
CCNA1 P78396 1/20 0.34
PHGDH O43175 1/20 0.34
PDE4A P27815 1/20 0.33
MAPK1 P28482 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
CHRM1 P11229 1/20 0.32
AURKA O14965 3/20 0.31
ABL1 P00519 3/20 0.31
NTRK1 P04629 3/20 0.31
RET P07949 3/20 0.31
FGFR1 P11362 3/20 0.31
AURKB Q96GD4 3/20 0.31
BCR P11274 2/20 0.31
PLK4 O00444 2/20 0.31
JAK2 O60674 2/20 0.31
MAP4K4 O95819 2/20 0.31
LCK P06239 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2387209 0.88 ALDH1A1 (0.37) CDK2CCNA2CCNA1PHGDHKMT2A
SCHEMBL2386658 0.86 PHGDH (0.44) CDK2CCNA2CCNA1PHGDHPDE4A
SCHEMBL2387205 0.75 CCNA2 (0.44) CDK2CCNA2CCNA1PHGDHPDE4A
SCHEMBL2386081 0.72 PDE10A (0.38) PDE4A
SCHEMBL2387658 0.71 HIF1A (0.50) MAPK1KMT2AALDH1A1
SCHEMBL2386408 0.71 CCNA2 (0.40) CDK2CCNA2CCNA1PHGDHPDE4A
SCHEMBL15668408 0.70 ALDH1A1 (0.55) ALDH1A1
SCHEMBL25276232 0.69 APEX1 (0.41) LCKFYNKMT2AALDH1A1
SCHEMBL12273046 0.69 ALDH1A1 (0.37) CDK2CCNA2CCNA1MAPK1ALDH1A1
SCHEMBL15668315 0.69 KDM4E (0.50) KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2544679-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2019-05-15 EP disclosed
US-10106516-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2018-10-23 US disclosed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 US disclosed
US-9434707-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2016-09-06 US disclosed
US-9102643-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2015-08-11 US disclosed
US-20150133675-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2015-05-14 US disclosed
US-20140228581-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2014-08-14 US disclosed
US-20130196994-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2013-08-01 US disclosed
US-8343970-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2013-01-01 US disclosed
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10106516-B2 PDE10 inhibitors and related compositions and methods PDE10A, PDE9A, PDE7A CDK2 1082/4885CCNA2 3770/4885CCNA1 3884/4885
US-20140228581-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A CDK2 1082/4885CCNA2 3770/4885CCNA1 3884/4885
US-20130196994-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A CDK2 1082/4885CCNA2 3770/4885CCNA1 3884/4885
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A CDK2 1082/4885CCNA2 3770/4885CCNA1 3884/4885
US-20150133675-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A CDK2 1082/4885CCNA2 3770/4885CCNA1 3884/4885
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A CDK2 1082/4885CCNA2 3770/4885CCNA1 3884/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.